5-butyl-3-(1-hydroxyethyl)-1-naphthalen-1-yl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-butyl-3-(1-hydroxyethyl)-1-naphthalen-1-yl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-3-(1-hydroxyethyl)-1-(1-naphthyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-3-(1-hydroxyethyl)-1-(1-naphthalenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-3-(1-hydroxyethyl)-1-naphthalen-1-yl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-butyl-3-(1-hydroxyethyl)-4,6-diketo-1-(1-naphthyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC4=CC=CC=C43)(C(C)O)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC4=CC=CC=C43)(C(C)O)C(=O)O

InChI

InChI=1S/C23H26N2O5/c1-3-4-12-25-20(27)17-18(21(25)28)23(13(2)26,22(29)30)24-19(17)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,13,17-19,24,26H,3-4,12H2,1-2H3,(H,29,30)